[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C25H32N2O4/c1-27(14-21(28)26-20-7-8-20)22(29)15-31-23(30)25-12-17-9-18(13-25)11-24(10-17,16-25)19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3,(H,26,28)/t17-,18+,24?,25?